ErZn2Pd5
Alexandria ALEXAlex-ID: agm044686274 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_14_spg139
ErPd3 ZnPd
2024-12-30 06:44:22
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044686274).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
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# CIF generated by HEAS from Alexandria entry agm044686274
data_agm044686274
_cell_length_a 7.93747
_cell_length_b 7.93747
_cell_length_c 7.93747
_cell_angle_alpha 149.64345
_cell_angle_beta 149.64345
_cell_angle_gamma 43.46503
_cell_volume 127.38038
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Er1 Er 0.00000 0.00000 0.00000 1.00000
Zn1 Zn 0.74797 0.74797 0.00000 1.00000
Zn2 Zn 0.25203 0.25203 0.00000 1.00000
Pd1 Pd 0.50000 0.50000 0.00000 1.00000
Pd2 Pd 0.36065 0.86065 0.50000 1.00000
Pd3 Pd 0.86065 0.36065 0.50000 1.00000
Pd4 Pd 0.63935 0.13935 0.50000 1.00000
Pd5 Pd 0.13935 0.63935 0.50000 1.00000
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